Introduction：Basic information about CAS 111-16-0|Pimelic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pimelic acid |
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| CAS Number | 111-16-0 | Molecular Weight | 160.168 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 353.7±25.0 °C at 760 mmHg |
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| Molecular Formula | C7H12O4 | Melting Point | 103-105 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 181.9±19.7 °C |
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Names
| Name | pimelic acid |
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| Synonym | More Synonyms |
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Pimelic acid BiologicalActivity
| Description | Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine. |
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| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Metabolic Disease |
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| Target | Human Endogenous Metabolite |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 353.7±25.0 °C at 760 mmHg |
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| Melting Point | 103-105 °C(lit.) |
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| Molecular Formula | C7H12O4 |
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| Molecular Weight | 160.168 |
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| Flash Point | 181.9±19.7 °C |
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| Exact Mass | 160.073563 |
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| PSA | 74.60000 |
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| LogP | 0.27 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.476 |
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| InChIKey | WLJVNTCWHIRURA-UHFFFAOYSA-N |
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| SMILES | O=C(O)CCCCCC(=O)O |
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| Stability | Stable. Incompatible with oxidizing agents, bases. Combustible. |
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| Water Solubility | 25 g/L (13 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TK3677000
- CHEMICAL NAME :
- Pimelic acid
- CAS REGISTRY NUMBER :
- 111-16-0
- BEILSTEIN REFERENCE NO. :
- 1210024
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C7-H12-O4
- MOLECULAR WEIGHT :
- 160.19
- WISWESSER LINE NOTATION :
- QV5VQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,477,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4800 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940
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Safety Information
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | TK3677000 |
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| HS Code | 2917190090 |
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Customs
| HS Code | 2917190090 |
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| Summary | 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Articles6
More Articles
| Age-related reference values for urinary organic acids in a healthy Turkish pediatric population. Clin. Chem. 40(6) , 862-6, (1994) Organic acid concentrations were quantified by gas chromatography and the individual acids identified by mass spectrometry in urine specimens from a healthy Turkish pediatric population of ages 2 days... | |
| Concentrations of riboflavin and related organic acids in children with protein-energy malnutrition. Am. J. Clin. Nutr. 71(4) , 978-86, (2000) Riboflavin, flavin mononucleotide (FMN), and flavin adenine dinucleotide (FAD) concentrations have been little studied in cases of malnutrition.Our objective was to investigate the effects of malnutri... | |
| Azelaic acid--biochemistry and metabolism. Acta Derm. Venereol. Suppl. (Stockh.) 143 , 8-13, (1989) Medium chain length dicarboxylic acids (DA) from C8 to C13 are competitive inhibitors of tyrosinase in vitro. The introduction of electron acceptor groups or electron donor groups into the 2 and/or th... | |
Synonyms
| Pimefilina [INN-Spanish] |
| Heptanedioic acid |
| 1,3-dimethyl-7-[2-(pyridin-3-ylmethyl-amino)-ethyl]-3,7-dihydro-purine-2,6-dione |
| Pimefylline [INN] |
| Pimelic acid |
| Pimefyllinum [INN-Latin] |
| Pimefyllin |
| 7-(ss-3'-Picolylaminoaethyl)-theophyllin |
| Pimephylline |
| 7-(2-((3-Pyridylmethyl)amino)ethyl)theophylline |
| heptanedioate |
| 1,7-heptanedioic acid |
| EINECS 203-840-8 |
| Pimefylline |
| heptane-1,7-dioic acid |
| MFCD00004425 |
| UNII-BZQ96WX25F |
